N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide

C19H17Cl2N3OS — CID 2239853

About N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide

N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide (PubChem CID 2239853) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide.

Molecular Properties

• Compound Name: N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
• PubChem CID: 2239853
• Molecular Formula: C19H17Cl2N3OS
• Molecular Weight: 406.34 g/mol
• Exact Mass: 405.05
• IUPAC Name: N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
• SMILES: Cc1cccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)c1
• InChI: InChI=1S/C19H17Cl2N3OS/c1-12-3-2-4-16(5-12)22-11-18(25)24-19-23-10-17(26-19)8-13-6-14(20)9-15(21)7-13/h2-7,9-10,22H,8,11H2,1H3,(H,23,24,25)
• InChIKey: JNNQPGQCGRTYMZ-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 54.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.34
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide?

The IUPAC name of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide (CID 2239853) is N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide.

What is the SMILES notation for N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide?

The canonical SMILES for N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)c1.

What is the InChIKey of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide?

The InChIKey is JNNQPGQCGRTYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-12-3-2-4-16(5-12)22-11-18(25)24-19-23-10-17(26-19)8-13-6-14(20)9-15(21)7-13/h2-7,9-10,22H,8,11H2,1H3,(H,23,24,25).

What are the key properties of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide?

N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide has a molecular weight of 406.34 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 2239853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).